ethane;ethoxyethane

C6H16O — CID 18781615

IUPACethane;ethoxyethane
SMILESCC.CCOCC
InChIInChI=1S/C4H10O.C2H6/c1-3-5-4-2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyIIGSASCYZVBOBK-UHFFFAOYSA-N
MW104.19 g/mol
LogP2.07
Rot. Bonds2

About ethane;ethoxyethane

ethane;ethoxyethane (PubChem CID 18781615) has the molecular formula C6H16O and a molecular weight of 104.19 g/mol. Its IUPAC name is ethane;ethoxyethane.

Molecular Properties

Compound Nameethane;ethoxyethane
PubChem CID18781615
Molecular FormulaC6H16O
Molecular Weight104.19 g/mol
Exact Mass104.12
IUPAC Nameethane;ethoxyethane
SMILESCC.CCOCC
InChIInChI=1S/C4H10O.C2H6/c1-3-5-4-2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyIIGSASCYZVBOBK-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;ethoxyethane?
The IUPAC name of ethane;ethoxyethane (CID 18781615) is ethane;ethoxyethane.
What is the SMILES notation for ethane;ethoxyethane?
The canonical SMILES for ethane;ethoxyethane is CC.CCOCC.
What is the InChIKey of ethane;ethoxyethane?
The InChIKey is IIGSASCYZVBOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6/c1-3-5-4-2;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;ethoxyethane?
ethane;ethoxyethane has a molecular weight of 104.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethoxyethane is sourced from PubChem (CID 18781615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).